Compound Identification
SMILES
ClCCNC(=O)N(N=O)C1=C(I)C=NC(=O)N1
InChIKey
InChIKey=IXIDAZNXEYGYMM-UHFFFAOYSA-N
Formula
C7H7ClIN5O3
Mass
371.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Halopyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Halopyrimidines
Alternative Parents
Pyrimidones Nitrosoureas Hydropyrimidines Aryl iodides Semicarbazides Nitrosamides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidone - Halopyrimidine - Nitrosourea - Hydropyrimidine - Aryl iodide - Aryl halide - Heteroaromatic compound - Nitrosamide - Semicarbazide - Organic n-nitroso compound - Carbonic acid derivative - Organic nitroso compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available